Evaluation of Pharmacokinetic Properties, Toxicity, and Bioactive Cytotoxic Activity of Black Rice (Oryza sativa L.) as Candidates for Diabetes Mellitus Drugs by in silico

Abstract

The in silico method is widely used to search for drug candidates, namely by predicting physicochemical properties, pharmacokinetics (ADME), toxicity, know the description of drug interactions with target proteins, Rerank Score (RS), and then carried out the Molecular Docking (MD) process. This study intends to predict the physicochemical, pharmacokinetics (ADME) properties, toxicity, and cytotoxic activity of 15 bioactive compounds in black rice (Oryza sativa L.) drug candidates for diabetes mellitus using the GLP-1 target protein. The In silico test results showed that campesterol ferulate, cycloartenol ferulate, lutein, β-carotene, and zeaxanthin found in black rice have physicochemical, pharmacokinetic (ADME), toxicity, and better Rerank Score (RS) properties than omarigliptin (drug). Black rice can also be safely recommended to be consumed by people with diabetes mellitus.